N-methoxy-N-sulfanyloxymethanamine

C2H7NO2S — CID 59768173

IUPACN-methoxy-N-sulfanyloxymethanamine
SMILESCON(C)OS
InChIInChI=1S/C2H7NO2S/c1-3(4-2)5-6/h6H,1-2H3
InChIKeyHQXLIKZMEWPWED-UHFFFAOYSA-N
MW109.15 g/mol
LogP0.26
Rot. Bonds2

About N-methoxy-N-sulfanyloxymethanamine

N-methoxy-N-sulfanyloxymethanamine (PubChem CID 59768173) has the molecular formula C2H7NO2S and a molecular weight of 109.15 g/mol. Its IUPAC name is N-methoxy-N-sulfanyloxymethanamine.

Molecular Properties

Compound NameN-methoxy-N-sulfanyloxymethanamine
PubChem CID59768173
Molecular FormulaC2H7NO2S
Molecular Weight109.15 g/mol
Exact Mass109.02
IUPAC NameN-methoxy-N-sulfanyloxymethanamine
SMILESCON(C)OS
InChIInChI=1S/C2H7NO2S/c1-3(4-2)5-6/h6H,1-2H3
InChIKeyHQXLIKZMEWPWED-UHFFFAOYSA-N
XLogP0.26
TPSA21.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-sulfanyloxymethanamine?
The IUPAC name of N-methoxy-N-sulfanyloxymethanamine (CID 59768173) is N-methoxy-N-sulfanyloxymethanamine.
What is the SMILES notation for N-methoxy-N-sulfanyloxymethanamine?
The canonical SMILES for N-methoxy-N-sulfanyloxymethanamine is CON(C)OS.
What is the InChIKey of N-methoxy-N-sulfanyloxymethanamine?
The InChIKey is HQXLIKZMEWPWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO2S/c1-3(4-2)5-6/h6H,1-2H3.
What are the key properties of N-methoxy-N-sulfanyloxymethanamine?
N-methoxy-N-sulfanyloxymethanamine has a molecular weight of 109.15 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-sulfanyloxymethanamine is sourced from PubChem (CID 59768173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).